(4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C16H24N2O3S2 — CID 2091610

IUPAC(4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C16H24N2O3S2/c1-13-4-8-17(9-5-13)16(19)14-6-10-18(11-7-14)23(20,21)15-3-2-12-22-15/h2-3,12-14H,4-11H2,1H3
InChIKeyYMGSRMRDGOQISG-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.41
Rot. Bonds3

About (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

(4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 2091610) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID2091610
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name(4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C16H24N2O3S2/c1-13-4-8-17(9-5-13)16(19)14-6-10-18(11-7-14)23(20,21)15-3-2-12-22-15/h2-3,12-14H,4-11H2,1H3
InChIKeyYMGSRMRDGOQISG-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4387660
N-Cycloheptyl-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053793
N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
1-{[1-(Thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}azepane
CID 3244621
Ethyl 1-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperidine-3-carboxylate
CID 3245147
N-(butan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 3690861
N-(2-methylbutan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2089592
N-cyclohexyl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330102
N-(pentan-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2409473
(1-(Thiophen-2-ylsulfonyl)piperidin-4-yl)(3-(trifluoromethyl)piperidin-1-yl)methanone
CID 2927682
1-Cyclohexyl-4-{[1-(thien-2-ylsulfonyl)piperidin-3-yl]carbonyl}piperazine
CID 3243083
(3,5-Dimethylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4670692

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 2091610) is (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is YMGSRMRDGOQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-13-4-8-17(9-5-13)16(19)14-6-10-18(11-7-14)23(20,21)15-3-2-12-22-15/h2-3,12-14H,4-11H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 2091610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).